SCHEMBL9964852

SCHEMBL9964852

Cn1nnnc1-c1ccc(-c2ccc3c(c2)C[C@H]2[C@H](COP(=O)(O)O)OC(=O)N32)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
PDE10A Q9Y233 1/20 0.35
HPRT1 P00492 1/20 0.31
TYMS P04818 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13430120 0.93 KCNH2 (0.36) KCNH2PDE10A
SCHEMBL13429499 0.88 KCNH2 (0.39) KCNH2PDE10AMAOAMAOBWNT1
SCHEMBL13430096 0.88 KCNH2 (0.37) KCNH2HPRT1
SCHEMBL13456680 0.88 KCNH2 (0.37) KCNH2PDE10AMAOAMAOBWNT1
SCHEMBL13456578 0.88 KCNH2 (0.34) KCNH2PDE10A
SCHEMBL13429589 0.88 KCNH2 (0.46) KCNH2PDE10AMAOAMAOBWNT1
SCHEMBL13430112 0.88 KCNH2 (0.33) KCNH2PDE10A
SCHEMBL13429487 0.88 MAOA (0.42) KCNH2PDE10AHPRT1CA12CA1
SCHEMBL13430148 0.87 KCNH2 (0.38) KCNH2HPRT1TYMSCA12CA1
SCHEMBL13429587 0.87 KCNH2 (0.37) KCNH2PDE10AMAOAMAOBWNT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT KCNH2 1145/4885PDE10A 1499/4885HPRT1 526/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 KCNH2 1295/4885PDE10A 1423/4885HPRT1 279/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.